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BDBM40800 MLS000068710::N-Cyclohexyl-4-[4-(furan-2-carbonyl)-piperazine-1-sulfonyl]-benzenesulfonamide::N-cyclohexyl-4-[4-(2-furoyl)piperazino]sulfonyl-benzenesulfonamide::N-cyclohexyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylbenzenesulfonamide::N-cyclohexyl-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-benzenesulfonamide::N-cyclohexyl-4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]benzenesulfonamide::SMR000003724::cid_653550

SMILES: O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1

InChI Key: InChIKey=XUBAURFPEIALIN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 40800   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
neuropeptides B/W receptor 1


(Homo sapiens (Human))
BDBM40800
PNG
(MLS000068710 | N-Cyclohexyl-4-[4-(furan-2-carbonyl...)
Show SMILES O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1
Show InChI InChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2
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KEGG

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.93E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2WH2NF9
More data for this
Ligand-Target Pair
Complement C1s


(Homo sapiens (Human))
BDBM40800
PNG
(MLS000068710 | N-Cyclohexyl-4-[4-(furan-2-carbonyl...)
Show SMILES O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1
Show InChI InChI=1S/C21H27N3O6S2/c25-21(20-7-4-16-30-20)23-12-14-24(15-13-23)32(28,29)19-10-8-18(9-11-19)31(26,27)22-17-5-2-1-3-6-17/h4,7-11,16-17,22H,1-3,5-6,12-15H2
PDB
MMDB

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antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MP51PC
More data for this
Ligand-Target Pair